#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkz s THR 2 N 0.00 2.56 -0.14 -0.18 -4.23 -1.26 -3.79 115.64 108.60 1jkz s THR 2 Ca 0.00 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1jkz s THR 2 Cb 0.00 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 1jkz s THR 2 CO 0.00 -0.33 -0.14 0.00 -0.54 0.00 0.00 174.62 173.61 1jkz s GLU 4 N 0.47 2.49 -0.01 0.00 -1.05 -1.26 0.37 118.70 119.72 1jkz s GLU 4 Ca -0.10 -0.75 -0.03 0.00 -0.15 0.00 0.00 54.97 53.95 1jkz s GLU 4 Cb -0.16 -2.45 -0.00 0.00 -0.44 0.00 0.00 34.13 31.08 1jkz s GLU 4 CO 0.05 0.60 0.06 -1.01 0.95 0.00 0.00 175.26 175.91 1jkz s HIS 5 N -0.95 0.03 -0.05 4.83 3.76 -0.68 -4.93 115.29 117.30 1jkz s HIS 5 Ca 0.16 -0.05 -0.20 0.00 -0.15 0.00 0.00 55.06 54.82 1jkz s HIS 5 Cb -0.11 -0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 1jkz s HIS 5 CO 0.06 -0.13 0.58 -1.17 -0.85 0.00 0.00 174.74 173.23 1jkz s LEU 6 N -0.63 4.36 -0.31 0.89 0.20 -1.26 0.12 118.68 122.05 1jkz s LEU 6 Ca -0.07 1.06 -0.24 0.00 0.69 0.00 0.00 54.13 55.57 1jkz s LEU 6 Cb -0.04 -2.88 0.00 0.00 -0.43 0.00 0.00 46.19 42.84 1jkz s LEU 6 CO 0.00 0.03 0.83 0.00 -0.29 0.00 0.00 176.35 176.93 1jkz s ALA 7 N 0.24 3.53 -1.12 5.97 0.00 -0.14 -4.92 121.76 125.32 1jkz s ALA 7 Ca 0.31 -0.36 0.15 0.00 0.00 0.00 0.00 51.96 52.06 1jkz s ALA 7 Cb -0.17 -3.36 0.69 0.00 0.00 0.00 0.00 23.12 20.28 1jkz s ALA 7 CO 0.15 -1.23 1.47 -0.25 0.00 0.00 0.00 175.76 175.90 1jkz n ASP 8 N 6.29 0.00 -3.29 0.00 9.92 -1.26 -3.51 116.55 124.70 1jkz n ASP 8 Ca 0.05 0.38 -0.35 0.00 -0.53 0.00 0.00 54.79 54.33 1jkz n ASP 8 Cb 0.48 -0.44 -0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1jkz n ASP 8 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1jkz n THR 9 N -1.44 4.70 -4.09 -3.53 -2.24 -1.26 -5.01 114.28 101.41 1jkz n THR 9 Ca 0.05 -5.67 -0.27 0.00 -2.27 0.00 0.00 64.05 55.88 1jkz n THR 9 Cb 0.16 -1.46 -0.06 0.00 -2.10 0.00 0.00 70.33 66.87 1jkz n THR 9 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jkz s TYR 10 N -3.98 3.12 -0.21 4.78 5.04 -1.23 -5.05 117.35 119.82 1jkz s TYR 10 Ca 0.44 -0.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.01 1jkz s TYR 10 Cb 0.25 -1.53 -0.02 0.00 0.35 0.00 0.00 41.96 41.01 1jkz s TYR 10 CO -0.16 0.52 -0.01 -0.98 -1.34 0.00 0.00 175.55 173.58 1jkz s ARG 11 N -2.90 3.56 1.09 4.97 1.70 -1.26 -5.04 118.95 121.08 1jkz s ARG 11 Ca 0.30 -0.54 0.00 0.00 -0.47 0.00 0.00 55.73 55.02 1jkz s ARG 11 Cb -0.11 -3.07 0.00 0.00 -0.57 0.00 0.00 34.95 31.21 1jkz s ARG 11 CO 0.22 -0.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.82 1jkz n GLY 12 N 4.38 -1.44 3.85 3.88 0.00 -1.26 -4.80 105.19 109.80 1jkz n GLY 12 Ca -0.17 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 1jkz n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkz s VAL 13 N -1.21 4.90 0.27 1.61 1.01 -1.26 -5.03 120.40 120.68 1jkz s VAL 13 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 1jkz s VAL 13 Cb 0.00 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1jkz s VAL 13 CO 0.00 0.16 0.97 0.00 0.00 0.00 0.00 175.10 176.23 1jkz n PHE 15 N 1.20 0.00 -4.71 0.00 3.01 -1.26 -4.88 117.46 110.82 1jkz n PHE 15 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1jkz n PHE 15 Cb 0.47 -0.16 -0.14 0.00 -0.01 0.00 0.00 39.48 39.65 1jkz n PHE 15 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1jkz s THR 16 N -2.11 2.18 0.35 4.37 -4.23 -1.26 -5.03 115.64 109.91 1jkz s THR 16 Ca -0.07 -1.53 0.17 0.00 -1.18 0.00 0.00 61.69 59.08 1jkz s THR 16 Cb 0.02 -1.89 0.35 0.00 1.34 0.00 0.00 72.50 72.32 1jkz s THR 16 CO 0.09 0.26 1.60 0.78 -0.54 0.00 0.00 174.62 176.81 1jkz h ASN 17 N 4.44 0.26 -0.13 3.99 -0.26 -1.97 0.67 115.58 122.58 1jkz h ASN 17 Ca -0.48 0.25 0.04 0.00 -0.56 0.00 0.00 56.30 55.54 1jkz h ASN 17 Cb 1.15 0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 38.67 1jkz h ASN 17 CO 0.42 -0.36 0.25 0.00 -1.06 0.00 0.00 177.43 176.68 1jkz h ALA 18 N 1.96 1.59 -0.28 -0.83 0.00 -1.96 -2.25 119.26 117.49 1jkz h ALA 18 Ca 0.79 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.68 1jkz h ALA 18 Cb 1.97 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1jkz h ALA 18 CO -0.75 -0.32 0.12 1.03 0.00 0.00 0.00 179.25 179.34 1jkz h SER 19 N 0.00 0.38 0.15 0.00 0.87 0.01 -2.88 113.55 112.08 1jkz h SER 19 Ca 0.06 -0.15 -0.30 0.00 -1.23 0.00 0.00 61.79 60.17 1jkz h SER 19 Cb 0.56 -0.10 0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1jkz h SER 19 CO -0.00 0.42 -1.28 0.00 -0.53 0.00 0.00 176.83 175.44 1jkz h ASP 21 N 0.23 -0.10 -0.46 0.00 1.82 -0.78 1.14 116.42 118.28 1jkz h ASP 21 Ca -0.20 0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.51 1jkz h ASP 21 Cb 1.96 0.04 -0.09 0.00 0.68 0.00 0.00 39.33 41.92 1jkz h ASP 21 CO 0.24 -0.02 -0.53 -0.78 -1.61 0.00 0.00 179.24 176.54 1jkz h ASP 22 N -0.03 -1.77 -0.61 2.28 1.82 -1.68 0.21 116.42 116.65 1jkz h ASP 22 Ca 0.00 0.25 0.06 0.00 -0.39 0.00 0.00 57.03 56.95 1jkz h ASP 22 Cb 0.03 0.74 -0.09 0.00 0.68 0.00 0.00 39.33 40.70 1jkz h ASP 22 CO -0.03 -0.38 -0.50 -0.74 -1.61 0.00 0.00 179.24 175.98 1jkz h HIS 23 N -0.35 -1.58 0.20 0.28 2.76 -1.42 0.69 115.15 115.73 1jkz h HIS 23 Ca 0.10 0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1jkz h HIS 23 Cb 0.58 0.77 -0.04 0.00 1.55 0.00 0.00 27.41 30.28 1jkz h HIS 23 CO -0.73 -0.38 -0.40 0.00 -1.30 0.00 0.00 177.93 175.13 1jkz h LYS 25 N -0.68 0.12 0.03 0.00 1.57 0.26 0.62 116.57 118.48 1jkz h LYS 25 Ca 0.01 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1jkz h LYS 25 Cb 0.68 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1jkz h LYS 25 CO -0.18 0.08 -1.08 -0.91 -0.57 0.00 0.00 179.45 176.78 1jkz h ASN 26 N 0.12 0.08 0.03 0.86 2.35 0.63 -3.20 115.58 116.45 1jkz h ASN 26 Ca 0.25 -0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.74 1jkz h ASN 26 Cb 0.37 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1jkz h ASN 26 CO -0.41 1.07 -0.89 0.11 -1.65 0.00 0.00 177.43 175.67 1jkz h LYS 27 N 0.01 0.06 -2.82 0.81 1.79 0.27 -3.43 116.57 113.27 1jkz h LYS 27 Ca -0.05 -0.10 -0.61 0.00 -2.18 0.00 0.00 60.65 57.71 1jkz h LYS 27 Cb 1.82 0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 32.11 1jkz h LYS 27 CO 0.14 1.05 -0.75 0.00 -1.08 0.00 0.00 179.45 178.81 1jkz s ALA 28 N -2.34 2.55 0.00 3.86 0.00 0.21 -5.03 121.76 121.01 1jkz s ALA 28 Ca -0.24 -3.03 0.00 0.00 0.00 0.00 0.00 51.96 48.69 1jkz s ALA 28 Cb 0.03 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1jkz s ALA 28 CO 0.67 -2.05 0.23 1.58 0.00 0.00 0.00 175.76 176.19 1jkz n HIS 29 N 2.71 0.00 -4.55 0.00 -0.00 -1.21 -4.44 115.22 107.73 1jkz n HIS 29 Ca 0.20 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.13 1jkz n HIS 29 Cb 0.39 -0.17 -0.06 0.00 -0.12 0.00 0.00 29.99 30.04 1jkz n HIS 29 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1jkz n LEU 30 N 1.47 0.00 -0.03 0.27 7.99 -1.26 -5.04 117.00 120.41 1jkz n LEU 30 Ca 0.00 -2.65 -0.13 0.00 -0.01 0.00 0.00 56.01 53.23 1jkz n LEU 30 Cb 0.12 0.52 -0.11 0.00 -0.11 0.00 0.00 43.42 43.84 1jkz n LEU 30 CO 0.12 -0.39 0.46 0.16 -1.51 0.00 0.00 177.39 176.23 1jkz h ILE 31 N 1.35 1.43 -4.21 -0.08 3.07 -1.86 -3.40 117.51 113.81 1jkz h ILE 31 Ca -0.32 -1.68 -0.29 0.00 1.55 0.00 0.00 64.86 64.12 1jkz h ILE 31 Cb 1.05 2.52 -0.09 0.00 -0.27 0.00 0.00 36.82 40.03 1jkz h ILE 31 CO 0.52 0.41 -0.23 -0.55 -1.05 0.00 0.00 178.15 177.25 1jkz s SER 32 N -5.89 0.96 -0.30 2.16 0.15 -1.26 -4.86 113.70 104.66 1jkz s SER 32 Ca -0.16 -1.50 -0.06 0.00 0.70 0.00 0.00 55.95 54.92 1jkz s SER 32 Cb -0.01 0.64 0.17 0.00 -1.71 0.00 0.00 66.02 65.12 1jkz s SER 32 CO 0.62 -1.26 0.73 -0.83 1.20 0.00 0.00 173.24 173.71 1jkz s GLY 33 N -3.24 -0.74 0.36 9.45 0.00 -1.26 -1.12 107.32 110.76 1jkz s GLY 33 Ca 0.32 2.25 0.04 0.00 0.00 0.00 0.00 44.72 47.33 1jkz s GLY 33 CO 0.21 3.38 0.52 -1.59 0.00 0.00 0.00 173.10 175.61 1jkz s THR 34 N 2.84 4.22 -0.28 0.90 2.01 -0.23 -1.17 115.64 123.92 1jkz s THR 34 Ca 0.09 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 61.12 1jkz s THR 34 Cb -0.13 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1jkz s THR 34 CO -0.18 -0.24 0.33 0.00 -0.69 0.00 0.00 174.62 173.83 1jkz s HIS 36 N 1.99 2.38 -1.35 0.00 3.76 0.06 -4.68 115.29 117.46 1jkz s HIS 36 Ca 0.13 -0.97 -0.07 0.00 -0.15 0.00 0.00 55.06 53.99 1jkz s HIS 36 Cb -0.16 -1.61 0.05 0.00 1.11 0.00 0.00 32.58 31.97 1jkz s HIS 36 CO 0.10 -0.40 0.48 0.09 -0.85 0.00 0.00 174.74 174.17 1jkz n ASN 37 N 3.58 -4.46 -0.00 1.40 3.02 -1.26 0.70 115.26 118.24 1jkz n ASN 37 Ca -0.20 -0.31 -0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1jkz n ASN 37 Cb 0.53 -3.66 -0.00 0.00 -0.61 0.00 0.00 39.78 36.04 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1jkz n TRP 38 N -4.07 0.00 -3.85 3.10 7.02 -1.26 -5.00 117.44 113.38 1jkz n TRP 38 Ca -0.06 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.17 1jkz n TRP 38 Cb 0.57 -0.86 -0.02 0.00 -2.42 0.00 0.00 31.31 28.59 1jkz n TRP 38 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1jkz s LYS 39 N -0.86 2.30 -0.18 -0.99 1.02 0.22 -3.02 119.74 118.23 1jkz s LYS 39 Ca 0.00 -1.91 -0.02 0.00 0.02 0.00 0.00 55.97 54.06 1jkz s LYS 39 Cb 0.00 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 1jkz s LYS 39 CO 0.00 -0.49 -0.10 0.00 -0.92 0.00 0.00 175.35 173.83 1jkz s PHE 41 N 0.99 2.54 0.21 0.00 0.40 -0.32 -0.96 117.98 120.84 1jkz s PHE 41 Ca -0.01 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1jkz s PHE 41 Cb -0.15 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 1jkz s PHE 41 CO -0.01 0.08 0.13 0.00 0.70 0.00 0.00 175.22 176.12 1jkz s THR 43 N -1.95 4.09 0.00 0.00 -4.23 -0.28 -1.68 115.64 111.58 1jkz s THR 43 Ca 0.31 -0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1jkz s THR 43 Cb -0.09 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 1jkz s THR 43 CO 0.23 0.40 -0.14 -1.58 -0.54 0.00 0.00 174.62 172.99 1jkz s GLN 44 N 1.18 1.08 0.30 3.99 0.74 0.16 -4.02 119.66 123.08 1jkz s GLN 44 Ca 0.03 -0.56 -0.28 0.00 0.05 0.00 0.00 55.36 54.60 1jkz s GLN 44 Cb -0.14 -1.06 -0.09 0.00 1.10 0.00 0.00 33.01 32.81 1jkz s GLN 44 CO 0.02 0.28 1.05 -0.80 -0.55 0.00 0.00 175.29 175.29 1jkz s ASN 45 N -0.53 7.26 0.00 6.67 0.01 -1.26 0.15 114.94 127.23 1jkz s ASN 45 Ca 0.04 2.14 0.00 0.00 -0.71 0.00 0.00 52.86 54.33 1jkz s ASN 45 Cb -0.06 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1jkz s ASN 45 CO -0.00 -0.14 0.00 0.00 -1.51 0.00 0.00 177.10 175.45